ethyl 4-amino-2-{[1-oxo-1-(2,4,6-trimethylanilino)butan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[1-oxo-1-(2,4,6-trimethylanilino)butan-2-yl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[1-oxo-1-(2,4,6-trimethylanilino)butan-2-yl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0336 |
| Compound Name: | ethyl 4-amino-2-{[1-oxo-1-(2,4,6-trimethylanilino)butan-2-yl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | CCC(C(Nc1c(C)cc(C)cc1C)=O)Sc1ncc(C(=O)OCC)c(N)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9227 |
| logD: | 3.9227 |
| logSw: | -4.0004 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.199 |
| InChI Key: | QYNRIORWMIUMRY-HNNXBMFYSA-N |